N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

C18H21F2NO3S — CID 19684084

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H21F2NO3S/c1-10-6-7-16(24-18(19)20)15(8-10)21-25(22,23)17-13(4)11(2)9-12(3)14(17)5/h6-9,18,21H,1-5H3
InChIKeyDUVPHSNNCOAXAG-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 19684084) has the molecular formula C18H21F2NO3S and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID19684084
Molecular FormulaC18H21F2NO3S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C18H21F2NO3S/c1-10-6-7-16(24-18(19)20)15(8-10)21-25(22,23)17-13(4)11(2)9-12(3)14(17)5/h6-9,18,21H,1-5H3
InChIKeyDUVPHSNNCOAXAG-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-[2-(difluoromethoxy)-5-methylphenyl]-4-methyl-3-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 56650021
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 56654804
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
N-[2-(difluoromethoxy)-4-methylphenyl]-2,4-dimethoxybenzenesulfonamide
CID 22206049

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 19684084) is N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1ccc(OC(F)F)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is DUVPHSNNCOAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3S/c1-10-6-7-16(24-18(19)20)15(8-10)21-25(22,23)17-13(4)11(2)9-12(3)14(17)5/h6-9,18,21H,1-5H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 369.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 19684084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).